4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine

Base Information

• Chemical Name: 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
• CAS No.: 2272-40-4
• Molecular Formula: C9H6 Cl2 N4
• Molecular Weight: 241.079
• Hs Code.: 2933699090
• DSSTox Substance ID: DTXSID60274583
• Nikkaji Number: J33.247J
• Wikidata: Q82003967
• ChEMBL ID: CHEMBL576897
• Mol file: 2272-40-4.mol

Synonyms:4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;NI 241;NI-241;NI241 cpd

Chemical Property of 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine

Chemical Property:

• Vapor Pressure: 5.27E-08mmHg at 25°C
• Boiling Point: 441.8°Cat760mmHg
• Flash Point: 221°C
• PSA: 53.93000
• Density: 1.515g/cm³
• LogP: 2.34390
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 239.9969516
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

(4,6-Dichloro-[1,3,5]triazin-2-yl)-phenyl-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)Cl

Technology Process of 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine

There total 4 articles about 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + aniline (62-53-3) → 2-phenylamino-4,6-dichloro-s-triazine (2272-40-4)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 2.5h;

DOI:10.1021/ml400317e

Reference yield: 53.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + aniline (62-53-3) → 2-phenylamino-4,6-dichloro-s-triazine (2272-40-4) + 6-chloro-N,N'-diphenyl-1,3,5-triazine-2,4-diamine (1973-09-7)

Guidance literature:

With triethylamine; In acetone; at 0 - 20 ℃; for 7h;

DOI:10.1248/cpb.c14-00218

Reference yield: 10.1%

C9H5Cl2N4 → 2-phenylamino-4,6-dichloro-s-triazine (2272-40-4)

Guidance literature:

for 1.66667h; UV-irradiation;

DOI:10.1016/S0045-6535(99)90553-2

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

aniline

Downstream raw materials:

4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine

N-phenyl-N’-isopropyl-6-chloro-[1,3,5]triazine-2,4-diamine

(bis-allyloxy-[1,3,5]triazin-2-yl)-phenyl-amine

2-(4-Chloro-6-phenylamino-[1,3,5]triazin-2-yloxy)-benzamide